K2Nb3Co(PO4)6
Alexandria ALEXAlex-ID: agm010986102 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
KCo(PO3)3 KNb(PO4)2 K2CoP2O7 NbPO5 Co2P
2025-02-02 19:02:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010986102).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm010986102
data_agm010986102
_cell_length_a 9.35814
_cell_length_b 9.35814
_cell_length_c 9.35814
_cell_angle_alpha 55.50436
_cell_angle_beta 55.50436
_cell_angle_gamma 55.50436
_cell_volume 519.01195
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.99605 0.99605 0.99605 1.00000
K2 K 0.49915 0.49915 0.49915 1.00000
Nb1 Nb 0.64862 0.64862 0.64862 1.00000
Nb2 Nb 0.35140 0.35140 0.35140 1.00000
Nb3 Nb 0.14867 0.14867 0.14867 1.00000
Co1 Co 0.84991 0.84991 0.84991 1.00000
P1 P 0.24900 0.96267 0.53644 1.00000
P2 P 0.03604 0.47065 0.74930 1.00000
P3 P 0.47065 0.74930 0.03604 1.00000
P4 P 0.53644 0.24900 0.96267 1.00000
P5 P 0.96267 0.53644 0.24900 1.00000
P6 P 0.74930 0.03604 0.47065 1.00000
O1 O 0.24896 0.98779 0.35656 1.00000
O2 O 0.07375 0.94528 0.70031 1.00000
O3 O 0.30168 0.93350 0.05603 1.00000
O4 O 0.12965 0.49768 0.28134 1.00000
O5 O 0.42742 0.79042 0.56841 1.00000
O6 O 0.21127 0.40736 0.58638 1.00000
O7 O 0.49310 0.73509 0.86473 1.00000
O8 O 0.73560 0.02653 0.64319 1.00000
O9 O 0.64319 0.73560 0.02653 1.00000
O10 O 0.05603 0.30168 0.93350 1.00000
O11 O 0.73509 0.86473 0.49310 1.00000
O12 O 0.40736 0.58638 0.21127 1.00000
O13 O 0.56841 0.42742 0.79042 1.00000
O14 O 0.28134 0.12965 0.49768 1.00000
O15 O 0.94528 0.70031 0.07375 1.00000
O16 O 0.35656 0.24896 0.98779 1.00000
O17 O 0.49768 0.28134 0.12965 1.00000
O18 O 0.79042 0.56841 0.42742 1.00000
O19 O 0.58638 0.21127 0.40736 1.00000
O20 O 0.86473 0.49310 0.73509 1.00000
O21 O 0.02653 0.64319 0.73560 1.00000
O22 O 0.98779 0.35656 0.24896 1.00000
O23 O 0.70031 0.07375 0.94528 1.00000
O24 O 0.93350 0.05603 0.30168 1.00000
